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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=C(C(N2C(=NC=N2)N1)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 7-(2-chlorophenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| InChIKey | FKILCLHPKMSWSC-UHFFFAOYSA-N |
| INCHI | 1S/C19H16ClN5O/c1-12-16(18(26)24-13-7-3-2-4-8-13)17(14-9-5-6-10-15(14)20)25-19(23-12)21-11-22-25/h2-11,17H,1H3,(H,24,26)(H,21,22,23) |
| Peso molecular | 365.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Pyrimidinecarboxamides Anilides N-arylamides Chlorobenzenes Aryl chlorides Hydropyrimidines Triazolines Secondary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Formamidines Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anilide - Triazolopyrimidine - Pyrimidinecarboxamide - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,6-dihydropyrimidine - Triazoline - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Amidine - Formamidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 365.800 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 365.104 Da |
| Monoisotopic Mass | 365.104 Da |
| Topological Polar Surface Area | 71.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 562.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |